6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide

C19H15FN4OS — CID 5309991

IUPAC6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H15FN4OS/c1-12-17(18(25)22-10-13-3-2-8-21-9-13)26-19-23-16(11-24(12)19)14-4-6-15(20)7-5-14/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyLZCHHXOIDKQXJI-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.84
Rot. Bonds4

About 6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide

6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 5309991) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID5309991
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H15FN4OS/c1-12-17(18(25)22-10-13-3-2-8-21-9-13)26-19-23-16(11-24(12)19)14-4-6-15(20)7-5-14/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyLZCHHXOIDKQXJI-UHFFFAOYSA-N
XLogP3.84
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 5309991) is 6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)NCc2cccnc2)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is LZCHHXOIDKQXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c1-12-17(18(25)22-10-13-3-2-8-21-9-13)26-19-23-16(11-24(12)19)14-4-6-15(20)7-5-14/h2-9,11H,10H2,1H3,(H,22,25).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 5309991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).